A review of large language models and autonomous agents in chemistry

MC Ramos, CJ Collison, AD White - Chemical Science, 2025 - pubs.rsc.org
Large language models (LLMs) have emerged as powerful tools in chemistry, significantly
impacting molecule design, property prediction, and synthesis optimization. This review …

[HTML][HTML] Peptide nanozymes: An emerging direction for functional enzyme mimics

S He, L Ma, Q Zheng, Z Wang, W Chen, Z Yu, X Yan… - Bioactive Materials, 2024 - Elsevier
The abundance of molecules on early Earth likely enabled a wide range of prebiotic
chemistry, with peptides playing a key role in the development of early life forms and the …

Comprehensive evaluation and systematic comparison of gaussian process (GP) modelling applications in peptide quantitative structure-activity relationship

H Ye, Y Zhang, Z Li, Y Peng, P Zhou - Chemometrics and Intelligent …, 2024 - Elsevier
Peptide quantitative structure-activity relationship (pQSAR) is a specific extension of
traditional QSARs from small-molecule drugs to bioactive peptides. Since peptides are …

Research progress in calcitonin gene-related peptide and bone repair

Q Wang, H Qin, J Deng, H Xu, S Liu, J Weng, H Zeng - Biomolecules, 2023 - mdpi.com
Calcitonin gene-related peptide (CGRP) has 37 amino acids. Initially, CGRP had
vasodilatory and nociceptive effects. As research progressed, evidence revealed that the …

Site mutation improves the expression and antimicrobial properties of fungal defense

Y Hao, D Teng, R Mao, N Yang, J Wang - Antibiotics, 2023 - mdpi.com
Although antimicrobial peptides (AMPs) have highly desirable intrinsic characteristics in
their commercial product development as new antimicrobials, the limitations of AMPs from …

Peptide-based therapeutics: challenges and solutions

AJ Pereira, LJ de Campos, H **ng… - Medicinal Chemistry …, 2024 - Springer
Given this special issue honors the scientific contributions of Dr. Ronald Borchardt, we
considered fitting to briefly discuss one of the areas where his research has made a great …

Binding-induced fibrillogenesis peptide inhibits RANKL-mediated osteoclast activation against osteoporosis

QL Liang, HG Xu, L Yu, MR Ding, YT Li, GF Qi, K Zhang… - Biomaterials, 2023 - Elsevier
Osteoporosis is primarily driven by an imbalance between bone resorption and formation,
stemming from enhanced osteoclast activity during bone remodeling. At the crux of this …

Unnatural amino acids: strategies, designs, and applications in medicinal chemistry and drug discovery

KK Sharma, K Sharma, K Rao, A Sharma… - Journal of Medicinal …, 2024 - ACS Publications
Peptides can operate as therapeutic agents that sit within a privileged space between small
molecules and larger biologics. Despite examples of their potential to regulate receptors and …

Milk and its derivatives as sources of components and microorganisms with health-promoting properties: Probiotics and bioactive peptides

L Quintieri, F Fanelli, L Monaci, V Fusco - Foods, 2024 - mdpi.com
Milk is a source of many valuable nutrients, including minerals, vitamins and proteins, with
an important role in adult health. Milk and dairy products naturally containing or with added …

Non-symmetric cysteine stapling in native peptides and proteins

S Ullrich, B Panda, U Somathilake, DJ Lawes… - Chemical …, 2025 - pubs.rsc.org
Stapling rigidifies peptides through covalent linkages between amino acids. We introduce 2-
chloromethyl-6-cyanopyridine for non-symmetric stapling of N-terminal and internal …